COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.244  -0.146   1.444  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.152  -0.798  -0.070  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.415  -1.483  -0.750  1.00  0.00           O  
HETATM    4  C   UNL     1       0.633  -1.005   0.775  1.00  0.00           C  
HETATM    5  C   UNL     1       1.571   0.527   2.931  1.00  0.00           C  
HETATM    6  C   UNL     1       1.952  -1.085   1.189  1.00  0.00           C  
HETATM    7  C   UNL     1       2.409  -0.313   2.269  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.886   1.524   2.768  1.00  0.00           C  
HETATM    9  C   UNL     1       2.889  -1.994   0.485  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.165  -1.456  -1.426  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.626  -1.095  -1.346  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.705  -1.485  -2.120  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.970  -1.005  -1.838  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.158  -0.135  -0.780  1.00  0.00           C  
HETATM   15  C   UNL     1       2.663  -3.369   0.485  1.00  0.00           C  
HETATM   16  C   UNL     1       4.868  -2.326  -0.833  1.00  0.00           C  
HETATM   17  C   UNL     1       1.820   1.396  -0.393  1.00  0.00           C  
HETATM   18  C   UNL     1       1.536   2.847  -0.798  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.470  -0.747  -0.346  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.602  -0.017   1.065  1.00  0.00           C  
HETATM   21  C   UNL     1       0.227   0.632   2.536  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.367   0.819   1.749  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.628   1.446   3.161  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.738   2.381   3.442  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.485   0.027   0.376  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.814  -0.226  -0.289  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.081   0.254  -0.007  1.00  0.00           C  
HETATM   28  C   UNL     1       3.538  -4.210  -0.172  1.00  0.00           C  
HETATM   29  C   UNL     1       4.639  -3.690  -0.829  1.00  0.00           C  
HETATM   30  C   UNL     1       3.996  -1.475  -0.184  1.00  0.00           C  
HETATM   31  S   UNL     1       4.286   0.263  -0.196  1.00  0.00           S  
HETATM   32  O   UNL     1       4.134   0.704   1.146  1.00  0.00           O  
HETATM   33  O   UNL     1       5.472   0.467  -0.951  1.00  0.00           O  
HETATM   34  N   UNL     1       3.056   0.959  -1.059  1.00  0.00           N  
HETATM   35  N   UNL     1       1.521   2.949  -2.263  1.00  0.00           N  
HETATM   36  C   UNL     1       2.834   2.616  -2.834  1.00  0.00           C  
HETATM   37  C   UNL     1       3.171   1.156  -2.512  1.00  0.00           C  
HETATM   38  C   UNL     1       1.084   4.283  -2.694  1.00  0.00           C  
HETATM   39  H   UNL     1       0.285  -1.601  -0.056  1.00  0.00           H  
HETATM   40  H   UNL     1       1.939   1.114   3.761  1.00  0.00           H  
HETATM   41  H   UNL     1       3.441  -0.389   2.578  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.042  -2.531  -1.301  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.760  -1.147  -2.390  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.559  -2.164  -2.947  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.811  -1.309  -2.443  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.146   0.241  -0.559  1.00  0.00           H  
HETATM   47  H   UNL     1       1.804  -3.776   0.999  1.00  0.00           H  
HETATM   48  H   UNL     1       5.729  -1.926  -1.348  1.00  0.00           H  
HETATM   49  H   UNL     1       1.945   1.336   0.688  1.00  0.00           H  
HETATM   50  H   UNL     1       0.992   0.758  -0.702  1.00  0.00           H  
HETATM   51  H   UNL     1       0.567   3.151  -0.403  1.00  0.00           H  
HETATM   52  H   UNL     1       2.313   3.496  -0.395  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.408   2.908   4.186  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.667   2.454   3.171  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.525  -0.296   1.416  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.244   1.089   0.327  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.228   0.934   0.819  1.00  0.00           H  
HETATM   58  H   UNL     1       3.364  -5.276  -0.172  1.00  0.00           H  
HETATM   59  H   UNL     1       5.324  -4.352  -1.338  1.00  0.00           H  
HETATM   60  H   UNL     1       2.806   2.753  -3.914  1.00  0.00           H  
HETATM   61  H   UNL     1       3.594   3.268  -2.403  1.00  0.00           H  
HETATM   62  H   UNL     1       4.190   0.937  -2.832  1.00  0.00           H  
HETATM   63  H   UNL     1       2.473   0.497  -3.027  1.00  0.00           H  
HETATM   64  H   UNL     1       1.009   4.308  -3.781  1.00  0.00           H  
HETATM   65  H   UNL     1       0.110   4.504  -2.258  1.00  0.00           H  
HETATM   66  H   UNL     1       1.808   5.028  -2.363  1.00  0.00           H  
CONECT    1   20    4    4   21                                       
CONECT    2    3    3   19   20                                       
CONECT    3    2    2                                                 
CONECT    4    1    1    6   39                                       
CONECT    5   21   21    7   40                                       
CONECT    6    4    7    7    9                                       
CONECT    7    6    6    5   41                                       
CONECT    8   22   24   23   23                                       
CONECT    9    6   30   30   15                                       
CONECT   10   11   19   42   43                                       
CONECT   11   10   12   12   26                                       
CONECT   12   11   11   13   44                                       
CONECT   13   12   14   14   45                                       
CONECT   14   13   13   27   46                                       
CONECT   15    9   28   28   47                                       
CONECT   16   30   29   29   48                                       
CONECT   17   18   34   49   50                                       
CONECT   18   35   17   51   52                                       
CONECT   19   10    2   25                                            
CONECT   20    2   22   22    1                                       
CONECT   21    1   23    5    5                                       
CONECT   22   20   20    8                                            
CONECT   23    8    8   21                                            
CONECT   24    8   53   54                                            
CONECT   25   19   26   55   56                                       
CONECT   26   11   25   27   27                                       
CONECT   27   26   26   14   57                                       
CONECT   28   15   15   29   58                                       
CONECT   29   16   16   28   59                                       
CONECT   30   31    9    9   16                                       
CONECT   31   34   33   33   32                                       
CONECT   31   32   30                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   37   17   31                                            
CONECT   35   38   36   18                                            
CONECT   36   35   37   60   61                                       
CONECT   37   36   34   62   63                                       
CONECT   38   35   64   65   66                                       
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
